4-chloranyl-3-[(2,3-dimethoxyphenyl)methylamino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[(2,3-dimethoxyphenyl)methylamino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-3-[(2,3-dimethoxyphenyl)methylamino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-3-[(2,3-dimethoxyphenyl)methylamino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-3-[(2,3-dimethoxyphenyl)methylamino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-3-(o-veratrylamino)-5-sulfamoyl-benzoic acid Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-24-12-5-3-4-9(15(12)25-2)8-19-11-6-10(16(20)21)7-13(14(11)17)26(18,22)23/h3-7,19H,8H2,1-2H3,(H,20,21)(H2,18,22,23)